3-((4-Iodobenzyl)thio)propanoic acid

Base Information

• Chemical Name: 3-((4-Iodobenzyl)thio)propanoic acid
• CAS No.: 52274-07-4
• Molecular Formula: C10H11IO2S
• Molecular Weight: 322.1626
• NSC Number: 40019
• DSSTox Substance ID: DTXSID90284973
• Wikidata: Q82020176
• ChEMBL ID: CHEMBL1607377

Synonyms:NSC40019;52274-07-4;NSC-40019;3-((4-iodobenzyl)thio)propanoic acid;NCIStruc1_001278;NCIStruc2_001287;CHEMBL1607377;DTXSID90284973;NCI40019;CCG-36731;NCGC00013467;AKOS014836686;NCGC00013467-02;NCGC00096582-01;NCI60_003729

Chemical Property of 3-((4-Iodobenzyl)thio)propanoic acid

Chemical Property:

• Vapor Pressure: 2.39E-07mmHg at 25°C
• Boiling Point: 406.8°C at 760 mmHg
• Flash Point: 199.8°C
• Density: 1.732g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 321.95245
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CSCCC(=O)O)I

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